![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302 Ata Fa'aalia](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 379.45 | - |
| Fa'apuna (Va'ai) | 715.0±60.0 °C | Lomitusi: 760 Torr |
| To'atele (Va'ai) | 1.243±0.06 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
| pKa (vala'aina) | 13.75±0.46 | Le Tele o le Acid Temp: 25 °C |
O'O'ITA'I Canonical O=C(N)NCCCC(NC(=O)C(N)C(C)C)C(=O)NC1=CC=C(C=C1)CO
Isomeric SMILES [C@@H](NC([C@H](C(C)C)N)=O)(C(NC1=CC=C(CO)C=C1)=O)CCCNC(N) =O
InChI
InChI=1S/C18H29N5O4/c1-11(2)15(19)17(26)23-14(4-3-9-21-18(20)27)16(25)22-13-7-5- 12(10-24)6-8-13/h5-8,11,14-15,24H,3-4,9-10,19 H2,1-2H3,(H,22,25)(H,23 ,26)(H3,20,21,27)/t14-,15-/m0/s1
InChI Ki
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Isi Igoa mo lea Mea
L-Valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI); 1: PN: WO2023061224 ITULAU: 34 fai mai faasologa; Valine-Citrulline-p- Aminobenzylcarbamate; Vc-PAB
| Meatotino avanoa |
| Fa'aolaola |
| Kemisi |
| Malosi |
| Lipinski |
| Fauga Faatatau |
| Mafanafana |
Fa'aolaola
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 1.0 | pH 1; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Kemisi
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 1.0 | pH 1; Maalili: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Maalili: 25 °C | (1) ACD |
| Koc | 1.0 | pH 3; Maalili: 25 °C | (1) ACD |
| Koc | 1.0 | pH 4; Maalili: 25 °C | (1) ACD |
| Koc | 1.0 | pH 5; Maalili: 25 °C | (1) ACD |
| Koc | 1.0 | pH 6; Maalili: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Maalili: 25 °C | (1) ACD |
| Koc | 6.00 | pH 8; Maalili: 25 °C | (1) ACD |
| Koc | 13.2 | pH 9; Maalili: 25 °C | (1) ACD |
| Koc | 15.0 | pH 10; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| ogalaauD | -3.53 | pH 1; Maalili: 25 °C | (1) ACD |
| ogalaauD | -3.46 | pH 2; Maalili: 25 °C | (1) ACD |
| ogalaauD | -3.45 | pH 3; Maalili: 25 °C | (1) ACD |
| ogalaauD | -3.42 | pH 4; Maalili: 25 °C | (1) ACD |
| ogalaauD | -3.20 | pH 5; Maalili: 25 °C | (1) ACD |
| ogalaauD | -2.50 | pH 6; Maalili: 25 °C | (1) ACD |
| ogalaauD | -1.57 | pH 7; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.76 | pH 8; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.42 | pH 9; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.36 | pH 10; Maalili: 25 °C | (1) ACD |
| logP | -0.354±0.602 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 1.6 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1000 g/L | pH 1; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1000 g/L | pH 2; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1000 g/L | pH 3; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1000 g/L | pH 4; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1000 g/L | pH 5; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 220 g/L | pH 6; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 26 g/L | pH 7; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.2 g/L | pH 8; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.9 g/L | pH 9; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.6 g/L | pH 10; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.6 g/L | Suavai e le fa'afefe pH 9.89; Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 4.2 x 10-3 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 0.59 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 0.069 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 0.011 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Molar Solubility | 4.9 x 10-3 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 4.3 x 10-3 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 4.3 x 10-3 mol/L | Suavai e le fa'afefe pH 9.89; Maalili: 25 °C | (1) ACD |
| Molecular Weight | 379.45 | ||
| pKa | 13.75±0.46 | Le Tele o le Acid Temp: 25 °C | (1) ACD |
| pKa | 8.19±0.33 | Vave Autu: 25 °C | (1) ACD |
| Omiga ausa | 1.86 x 10-21 Torr | Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Malosi
| Meatotino | Taua | Tulaga | Punavai |
| Malosi | 1.243±0.06 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
| Molar Volume | 305.2±3.0 cm3/mol | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Meatotino | Taua | Tulaga | Punavai |
| Noanoaga e mafai ona fesuia'i saoloto | 12 | (1) ACD | |
| H Tagata talia | 9 | (1) ACD | |
| H Donors | 8 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 17 | (1) ACD | |
| logP | -0.354±0.602 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 379.45 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Fauga Faatatau
| Meatotino | Taua | Tulaga | Punavai |
| Polar Surface Area | 160 A2 | (1) ACD | |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Mafanafana
| Meatotino | Taua | Tulaga | Punavai |
| Fa'apuna | 715.0±60.0 °C | Lomitusi: 760 Torr | (1) ACD |
| Entalpy o le Ausa | 109.72±3.0 kJ/mol | Lomitusi: 760 Torr | (1) ACD |
| Mata'imu | 386.2±32.9 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa
1H NMR
13C NMR
| Code | Fa'amatalaga o Tulaga Lamatia | Punavai |
| H335 | E ono mafua ai le manava manava | European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona taatele, European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoa le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona ogaoga. |
| H319 | E mafua ai le tiga mata'utia | European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona taatele, European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoa le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona ogaoga. |
| H315 | E mafua ai le afaina o le paʻu | European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona taatele, European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoa le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona ogaoga. |
| H302 | E afaina pe a foloina | European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona taatele, European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoa le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona ogaoga. |
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